4-[3-[ethyl-[3-(2-fluoranylpropylsulfanyl)propyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[ethyl-[3-(2-fluoranylpropylsulfanyl)propyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[ethyl-[3-(2-fluoropropylsulfanyl)propyl]amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[ethyl-[3-(2-fluoropropylthio)propyl]amino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[ethyl-[3-(2-fluoropropylsulfanyl)propyl]amino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[ethyl-[3-(2-fluoropropylthio)propyl]amino]-2-hydroxy-propoxy]benzonitrile Formula: C18H27FN2O2S MolecularWeight: 354.482583

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCSCC(C)F)CC(COC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CCN(CCCSCC(C)F)CC(COC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C18H27FN2O2S/c1-3-21(9-4-10-24-14-15(2)19)12-17(22)13-23-18-7-5-16(11-20)6-8-18/h5-8,15,17,22H,3-4,9-10,12-14H2,1-2H3